5460161 1 2 3 4 5 6 7 8 9 10 11 8 8 8 6 6 6 1 1 1 1 1 2 -1 1 1 2 3 4 4 4 5 5 5 4 11 6 6 5 6 7 8 9 10 1 1 1 2 1 1 1 1 1 1 4 1 5 6 7 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 2.5369 5.135 4.269 3.403 3.403 4.269 3.403 2.783 3.403 4.023 2 0.25 -0.25 1.25 -0.25 -1.25 0.25 0.37 -1.25 -1.87 -1.25 -0.06 6 4 1 -1 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 53.5 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180403000000000000000000000000000000000000000000000000000000000000000001A00000800000814A080020208000002000800009008020000000000000000014000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-hydroxypropanoate IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-hydroxypropanoate IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-hydroxypropanoate IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-oxidanylpropanoate IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 (2S)-2-hydroxypropionate InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/p-1/t2-/m0/s1 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 JVTAAEKCZFNVCJ-REOHCLBHSA-M Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2011.09.13 0.2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 89.023869 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C3H5O3- Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 89.07 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CC(C(=O)[O-])O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 C[C@@H](C(=O)[O-])O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 60.4 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 89.023869 6 1 1 0 0 0 0 0 1 1